5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol

C10H20N2O — CID 57241657

IUPAC5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol
SMILESCCCCCC1N=C(N)C(C)C1O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-8-9(13)7(2)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)
InChIKeyKSRMNCKMKAKMDA-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.30
Rot. Bonds4

About 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol

5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol (PubChem CID 57241657) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol
PubChem CID57241657
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol
SMILESCCCCCC1N=C(N)C(C)C1O
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-8-9(13)7(2)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)
InChIKeyKSRMNCKMKAKMDA-UHFFFAOYSA-N
XLogP1.30
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
CID 57162465
(2R,3R,4R)-5-amino-2-pentyl-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-4-ol
CID 67622180
(2S,3S,4R)-5-amino-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
CID 57166239
(2S,3R,4R)-3-methyl-4-methylsulfanyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 67622840
(2S,3R,4R)-5-amino-2-(3-aminopropyl)-3-methyl-3,4-dihydro-2H-pyrrol-4-ol
CID 67622251
(4R,5R)-4-butyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 130879354
6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
CID 140986778
ethyl 4-hexyl-2-methyl-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 11834585
2-[(4R,5R)-1-ethyl-5-hydroxy-4-octadecyl-4,5-dihydroimidazol-2-yl]acetic acid
CID 125434573
(3S,4R,5R)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
CID 11077856
1,2-dimethyl-3-pentylcyclopropane
CID 524654
3,4,6-trimethyl-5-pentyloxan-2-ol
CID 59637157

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol?
The IUPAC name of 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol (CID 57241657) is 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol.
What is the SMILES notation for 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol?
The canonical SMILES for 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol is CCCCCC1N=C(N)C(C)C1O.
What is the InChIKey of 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol?
The InChIKey is KSRMNCKMKAKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-8-9(13)7(2)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol?
5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol has a molecular weight of 184.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-3-ol is sourced from PubChem (CID 57241657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).